3-chloranyl-2-[6-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3-chloranyl-2-[6-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-chloro-2-[6-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzonitrile CAS Name: 3-chloro-2-[6-sulfanylidene-4-(trifluoromethyl)-1-pyrimidinyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 3-chloro-2-[6-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzonitrile Traditional Name: 3-chloro-2-[6-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzonitrile Formula: C13H4ClF6N3S MolecularWeight: 383.699379

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C=NC(=CC2=S)C(F)(F)F)C#N)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C=NC(=CC2=S)C(F)(F)F)C#N)C(F)(F)F

InChI

InChI=1S/C13H4ClF6N3S/c14-8-2-7(12(15,16)17)1-6(4-21)11(8)23-5-22-9(3-10(23)24)13(18,19)20/h1-3,5H